Geometry & MOs

Info

ID:	28580
PubChem CID:	828449
Reduced:	NSO4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	303.137162
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	1.63
IP(EA), eV:	-8.29(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)O1

DOS

IR

Vibrations